1-(4-phenyloxan-4-yl)pentan-1-ol

C16H24O2 — CID 63083062

IUPAC1-(4-phenyloxan-4-yl)pentan-1-ol
SMILESCCCCC(O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H24O2/c1-2-3-9-15(17)16(10-12-18-13-11-16)14-7-5-4-6-8-14/h4-8,15,17H,2-3,9-13H2,1H3
InChIKeyXUVDUHMJBNANIX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds5

About 1-(4-phenyloxan-4-yl)pentan-1-ol

1-(4-phenyloxan-4-yl)pentan-1-ol (PubChem CID 63083062) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-phenyloxan-4-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(4-phenyloxan-4-yl)pentan-1-ol
PubChem CID63083062
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(4-phenyloxan-4-yl)pentan-1-ol
SMILESCCCCC(O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H24O2/c1-2-3-9-15(17)16(10-12-18-13-11-16)14-7-5-4-6-8-14/h4-8,15,17H,2-3,9-13H2,1H3
InChIKeyXUVDUHMJBNANIX-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyloxan-4-yl)pentan-1-ol?
The IUPAC name of 1-(4-phenyloxan-4-yl)pentan-1-ol (CID 63083062) is 1-(4-phenyloxan-4-yl)pentan-1-ol.
What is the SMILES notation for 1-(4-phenyloxan-4-yl)pentan-1-ol?
The canonical SMILES for 1-(4-phenyloxan-4-yl)pentan-1-ol is CCCCC(O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 1-(4-phenyloxan-4-yl)pentan-1-ol?
The InChIKey is XUVDUHMJBNANIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-9-15(17)16(10-12-18-13-11-16)14-7-5-4-6-8-14/h4-8,15,17H,2-3,9-13H2,1H3.
What are the key properties of 1-(4-phenyloxan-4-yl)pentan-1-ol?
1-(4-phenyloxan-4-yl)pentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyloxan-4-yl)pentan-1-ol is sourced from PubChem (CID 63083062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).